(3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one

C23H33N3O2 — CID 146315321

IUPAC(3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESCc1cc(N2CC3(CN(CC[C@H]4CC5(CCCCC5)C(=O)O4)C3)C2)cc(C)n1
InChIInChI=1S/C23H33N3O2/c1-17-10-19(11-18(2)24-17)26-15-22(16-26)13-25(14-22)9-6-20-12-23(21(27)28-20)7-4-3-5-8-23/h10-11,20H,3-9,12-16H2,1-2H3/t20-/m0/s1
InChIKeyGPEBSCOTYHNLQY-FQEVSTJZSA-N
MW383.54 g/mol
LogP3.48
Rot. Bonds4

About (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one

(3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one (PubChem CID 146315321) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
PubChem CID146315321
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESCc1cc(N2CC3(CN(CC[C@H]4CC5(CCCCC5)C(=O)O4)C3)C2)cc(C)n1
InChIInChI=1S/C23H33N3O2/c1-17-10-19(11-18(2)24-17)26-15-22(16-26)13-25(14-22)9-6-20-12-23(21(27)28-20)7-4-3-5-8-23/h10-11,20H,3-9,12-16H2,1-2H3/t20-/m0/s1
InChIKeyGPEBSCOTYHNLQY-FQEVSTJZSA-N
XLogP3.48
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one (CID 146315321) is (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one is Cc1cc(N2CC3(CN(CC[C@H]4CC5(CCCCC5)C(=O)O4)C3)C2)cc(C)n1.
What is the InChIKey of (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The InChIKey is GPEBSCOTYHNLQY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17-10-19(11-18(2)24-17)26-15-22(16-26)13-25(14-22)9-6-20-12-23(21(27)28-20)7-4-3-5-8-23/h10-11,20H,3-9,12-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
(3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one has a molecular weight of 383.54 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 146315321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).